2-butyl-1-decyl-3-pentylimidazol-3-ium

C22H43N2+ — CID 87806328

IUPAC2-butyl-1-decyl-3-pentylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](CCCCC)c1CCCC
InChIInChI=1S/C22H43N2/c1-4-7-10-11-12-13-14-16-19-24-21-20-23(18-15-8-5-2)22(24)17-9-6-3/h20-21H,4-19H2,1-3H3/q+1
InChIKeyQXWIFWBWSCTGNN-UHFFFAOYSA-N
MW335.60 g/mol
LogP6.45
Rot. Bonds16

About 2-butyl-1-decyl-3-pentylimidazol-3-ium

2-butyl-1-decyl-3-pentylimidazol-3-ium (PubChem CID 87806328) has the molecular formula C22H43N2+ and a molecular weight of 335.60 g/mol. Its IUPAC name is 2-butyl-1-decyl-3-pentylimidazol-3-ium.

Molecular Properties

Compound Name2-butyl-1-decyl-3-pentylimidazol-3-ium
PubChem CID87806328
Molecular FormulaC22H43N2+
Molecular Weight335.60 g/mol
Exact Mass335.34
IUPAC Name2-butyl-1-decyl-3-pentylimidazol-3-ium
SMILESCCCCCCCCCCn1cc[n+](CCCCC)c1CCCC
InChIInChI=1S/C22H43N2/c1-4-7-10-11-12-13-14-16-19-24-21-20-23(18-15-8-5-2)22(24)17-9-6-3/h20-21H,4-19H2,1-3H3/q+1
InChIKeyQXWIFWBWSCTGNN-UHFFFAOYSA-N
XLogP6.45
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.60
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-butyl-1-decyl-3-pentylimidazol-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-butyl-1-pentadecyl-3-pentylimidazol-3-ium
CID 87807992
2-butyl-1-heptadecyl-3-octylimidazol-1-ium
CID 87806522
2-butyl-1-heptadecyl-3-pentadecylimidazol-3-ium
CID 87807575
2-butyl-1,3-dihexylimidazol-1-ium
CID 87807758
2-dodecyl-1-heptyl-3-octadecylimidazol-1-ium
CID 87807059
1-dodecyl-3-pentadecyl-2-tetradecylimidazol-3-ium
CID 87806909
1-heptyl-2-hexadecyl-3-hexylimidazol-1-ium
CID 87809430
1-dodecyl-2-hexadecyl-3-pentylimidazol-3-ium
CID 87810102
1,2-dihexadecyl-3-octylimidazol-1-ium
CID 87896277
2-heptadecyl-1-tetradecyl-3-undecylimidazol-3-ium
CID 87811456
2-octyl-1,3-di(pentadecyl)imidazol-1-ium
CID 87896675
1-heptyl-2-nonadecyl-3-octylimidazol-1-ium
CID 87808329

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-decyl-3-pentylimidazol-3-ium?
The IUPAC name of 2-butyl-1-decyl-3-pentylimidazol-3-ium (CID 87806328) is 2-butyl-1-decyl-3-pentylimidazol-3-ium.
What is the SMILES notation for 2-butyl-1-decyl-3-pentylimidazol-3-ium?
The canonical SMILES for 2-butyl-1-decyl-3-pentylimidazol-3-ium is CCCCCCCCCCn1cc[n+](CCCCC)c1CCCC.
What is the InChIKey of 2-butyl-1-decyl-3-pentylimidazol-3-ium?
The InChIKey is QXWIFWBWSCTGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43N2/c1-4-7-10-11-12-13-14-16-19-24-21-20-23(18-15-8-5-2)22(24)17-9-6-3/h20-21H,4-19H2,1-3H3/q+1.
What are the key properties of 2-butyl-1-decyl-3-pentylimidazol-3-ium?
2-butyl-1-decyl-3-pentylimidazol-3-ium has a molecular weight of 335.60 g/mol, XLogP of 6.45, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-decyl-3-pentylimidazol-3-ium is sourced from PubChem (CID 87806328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).